3-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-N-methyl-1,1-dioxo-1H-1-benzothiophene-2-carboxamide
Chemical Structure Depiction of
3-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-N-methyl-1,1-dioxo-1H-1-benzothiophene-2-carboxamide
3-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-N-methyl-1,1-dioxo-1H-1-benzothiophene-2-carboxamide
Compound characteristics
| Compound ID: | D581-0064 |
| Compound Name: | 3-{[(2H-1,3-benzodioxol-5-yl)methyl]amino}-N-methyl-1,1-dioxo-1H-1-benzothiophene-2-carboxamide |
| Molecular Weight: | 372.4 |
| Molecular Formula: | C18 H16 N2 O5 S |
| Smiles: | CNC(C1=C(c2ccccc2S1(=O)=O)NCc1ccc2c(c1)OCO2)=O |
| Stereo: | ACHIRAL |
| logP: | 1.1809 |
| logD: | 1.1741 |
| logSw: | -2.4164 |
| Hydrogen bond acceptors count: | 8 |
| Hydrogen bond donors count: | 2 |
| Polar surface area: | 81.89 |
| InChI Key: | XIMQNSYEDHYKPR-UHFFFAOYSA-N |